Geometry & MOs

Info

ID:	287846
PubChem CID:	104296402
Reduced:	BrON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	344.07758
ΔH_f, kcal/mol:	-28.22
Dipole, Da:	3.13
IP(EA), eV:	-9.26(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)C(=O)C2=CC(=C(C=C2)Br)C

DOS

IR

Vibrations